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Luminescence spectroscopy
and electronic structure of Zr- and Bi-containing phosphate crystals
Hizhnyi Yu.
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Abstract. Intrinsic photoluminescence (PL) properties of ZrP2O7,
KZr2(PO4)3, K2BiZr(PO4)3 and BiPO4 phosphate crystals are studied in the
excitation photon-energy range 3.7÷20 eV. The electronic band structures
of these crystals are calculated using a full-potential linear augmented
plane-wave method. The origins of the intrinsic luminescence in phosphate
compounds under study are analyzed basing on the experimental and computational
results. It is found that the short-wavelength PL components for the K2BiZr(PO4)3
compound located at 380÷420 nm should be associated with the emission
of Zr-related centres. The long-wavelength emission component for this
crystal located near 480 nm should be attributed to the emission of Bi-related
centres. The bands in the PL excitation spectra of K2BiZr(PO4)3, which
are located near 4.9 and 5.5 eV, have a Bi-related nature, whereas the
bands observed above 6.5 eV are associated with Zr.
Keywords: luminescence, phosphates, electronic
structure, bismuth, zirconium
PACS: 42.70.Hj, 71.20.Ps, 78.55.Hx
UDC: 535.3, 538.9
Ukr. J. Phys. Opt.
17 32-38
doi: 10.3116/16091833/17/1/32/2016
Received: 16.11.2015
Анотація. Вивчено власну фотолюмінесценцію
(ФЛ) фосфатних кристалів ZrP2O7, KZr2(PO4)3, K2BiZr(PO4)3
і BiPO4 у діапазоні фотонних енергій збудження
3,7÷20еВ. Зонну структуру цих кристалів розраховано
з використанням лінеаризованого методу
приєднаних плоских хвиль. Походження власної
люмінесценції фосфатних сполук проаналізовано
на основі одержаних експериментальних
і розрахункових результатів. Встановлено,
що короткохвильові компоненти ФЛ для сполуки
K2BiZr(PO4)3, розташовані при 380 ÷ 420 нм, слід приписувати
випромінюванню центрів, пов'язаних із Zr.
Довгохвильову емісійну компоненту для
цих кристалів, пік якої розташований поблизу
480 нм, слід відносити до випромінювання
центрів, пов'язаних із Bi. Смуги в спектрах
збудження ФЛ K2BiZr(PO4)3, розташовані поблизу
4,9 і 5,5 еВ, мають природу, пов'язану з Bi, тоді
як смуги, спостережувані вище за 6,5 еВ, пов'язані
з Zr. |
|
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